(3R)-7-[5-chloro-2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

C26H25ClFN5O3S — CID 146270290

IUPAC(3R)-7-[5-chloro-2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCOC[C@H]1Cn2cc(-c3cc(Nc4ncc(C)s4)ncc3Cl)cc2C(=O)N1Cc1cc(F)ccc1CO
InChIInChI=1S/C26H25ClFN5O3S/c1-15-8-30-26(37-15)31-24-7-21(22(27)9-29-24)18-6-23-25(35)33(20(14-36-2)12-32(23)10-18)11-17-5-19(28)4-3-16(17)13-34/h3-10,20,34H,11-14H2,1-2H3,(H,29,30,31)/t20-/m1/s1
InChIKeyUWPKHWHCENPSOP-HXUWFJFHSA-N
MW542.04 g/mol
LogP5.01
Rot. Bonds8

About (3R)-7-[5-chloro-2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

(3R)-7-[5-chloro-2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 146270290) has the molecular formula C26H25ClFN5O3S and a molecular weight of 542.04 g/mol. Its IUPAC name is (3R)-7-[5-chloro-2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name(3R)-7-[5-chloro-2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID146270290
Molecular FormulaC26H25ClFN5O3S
Molecular Weight542.04 g/mol
Exact Mass541.14
IUPAC Name(3R)-7-[5-chloro-2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCOC[C@H]1Cn2cc(-c3cc(Nc4ncc(C)s4)ncc3Cl)cc2C(=O)N1Cc1cc(F)ccc1CO
InChIInChI=1S/C26H25ClFN5O3S/c1-15-8-30-26(37-15)31-24-7-21(22(27)9-29-24)18-6-23-25(35)33(20(14-36-2)12-32(23)10-18)11-17-5-19(28)4-3-16(17)13-34/h3-10,20,34H,11-14H2,1-2H3,(H,29,30,31)/t20-/m1/s1
InChIKeyUWPKHWHCENPSOP-HXUWFJFHSA-N
XLogP5.01
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.04
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3R)-7-[5-chloro-2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one with MolForge

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Related Compounds

(3R)-7-[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 153371872
(3R)-7-[5-chloro-2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 146270294
(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 153371850
7-[5-chloro-2-(ethylamino)pyrimidin-4-yl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 146270472
(6R)-2-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-7-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-6-(methoxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
CID 146270192
[2-[[(3R)-7-[5-chloro-2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-4-pyridinyl]-3-(methoxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorophenyl]methanol
CID 175789860
[2-[[(3R)-7-[5-chloro-2-(1,2-oxazol-5-ylamino)-4-pyridinyl]-3-(methoxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorophenyl]methanol
CID 156654052
8-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-2-[[4-fluoro-2-(hydroxymethyl)phenyl]methyl]spiro[3,5-dihydropyrrolo[1,2-a][1,4]diazepine-4,3'-oxetane]-1-one
CID 146270413
methyl 2-[[(3R)-7-bromo-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate
CID 146270166
7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 146270496
8-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-4,4-bis(hydroxymethyl)-2-[[2-(hydroxymethyl)phenyl]methyl]-3,5-dihydropyrrolo[1,2-a][1,4]diazepin-1-one
CID 146270410
(5R)-6-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-5-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 167270603

Frequently Asked Questions

What is the IUPAC name of (3R)-7-[5-chloro-2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of (3R)-7-[5-chloro-2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (CID 146270290) is (3R)-7-[5-chloro-2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for (3R)-7-[5-chloro-2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for (3R)-7-[5-chloro-2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is COC[C@H]1Cn2cc(-c3cc(Nc4ncc(C)s4)ncc3Cl)cc2C(=O)N1Cc1cc(F)ccc1CO.
What is the InChIKey of (3R)-7-[5-chloro-2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is UWPKHWHCENPSOP-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H25ClFN5O3S/c1-15-8-30-26(37-15)31-24-7-21(22(27)9-29-24)18-6-23-25(35)33(20(14-36-2)12-32(23)10-18)11-17-5-19(28)4-3-16(17)13-34/h3-10,20,34H,11-14H2,1-2H3,(H,29,30,31)/t20-/m1/s1.
What are the key properties of (3R)-7-[5-chloro-2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
(3R)-7-[5-chloro-2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 542.04 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-[5-chloro-2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 146270290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).